NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1671 7.9829 118.5496 60.0869 37.9718 178.3943 3 D 4.3797 8.2409 122.1781 57.7800 39.8581 178.7870 4 T 4.5013 8.1489 115.0750 64.1970 69.6788 178.1688 5 A 4.3913 7.8712 120.9998 55.4343 17.3141 178.4807 6 A 4.2691 7.9042 117.5112 53.4710 18.5864 179.7631 7 K 4.3715 8.0048 126.1252 59.5471 31.8492 184.3854 *8 F 4.4693 8.2721 122.2059 62.1903 37.8488 182.0596 9 I 4.4563 7.6353 116.6920 62.4493 35.6794 179.5822 10 G 4.1092 7.3100 104.6347 46.7148 0.0000 175.5881 11 A 4.3773 7.6385 122.3137 54.2957 18.6348 179.9033 12 G 3.4937 7.6326 104.6469 47.9425 0.0000 175.8111 13 A 4.0993 7.9653 122.0501 54.0278 18.6154 179.0642 14 A 4.2160 7.7848 121.2630 55.3374 18.2003 179.8089 15 T 4.3258 7.7173 114.7603 65.1482 68.4007 182.1181 16 V 4.2960 7.3980 118.1748 65.0548 31.7044 183.1872 17 G 4.0051 7.6862 105.8029 48.2493 0.0000 175.2447 18 V 4.1566 7.5352 115.9844 60.8149 31.3888 182.6969 19 A 4.4324 7.6956 122.0297 54.1451 18.8995 180.2027 20 G 3.4880 8.0092 106.5727 47.8630 0.0000 176.9202 21 S 4.3460 8.0294 120.6392 62.9618 62.1638 179.4900 22 G 3.7505 7.7249 109.2103 47.4776 0.0000 175.3443 23 A 4.2648 7.7164 121.8911 53.4789 18.6012 179.6309 24 G 3.7099 8.1771 107.2124 48.1818 0.0000 176.8684 25 I 4.0061 8.0892 122.6419 64.7422 35.2988 181.7917 26 G 3.9302 7.8468 109.0406 48.3125 0.0000 176.0965 27 T 4.3403 7.6396 115.4733 64.6051 67.8690 179.3344 28 V 4.5180 7.6537 121.0915 65.1839 32.9639 183.1180 *29 F 4.8495 7.7480 117.0046 58.9611 38.2576 179.9529 30 G 4.2345 7.8972 109.1959 47.5237 0.0000 176.8948 31 S 4.4561 8.1046 122.4046 62.9920 61.9984 180.4314 32 L 4.5558 7.5419 122.2774 59.0683 40.7134 183.7070 33 I 4.3536 7.3165 117.8972 64.5932 35.5729 182.8672 34 I 4.7024 7.4818 117.6319 62.7034 37.0953 183.3206 35 G 3.7501 7.8428 108.3072 49.4694 0.0000 176.0074 *36 Y 4.2390 7.5859 120.8912 60.1866 36.7149 179.1855 37 A 4.3804 7.4210 122.2374 56.1287 18.6359 179.9619 38 R 4.1153 7.8602 120.1068 58.5507 29.8577 181.0222 39 N 4.6044 7.3675 117.8723 52.2721 37.7330 177.2032 40 P 5.1245 0.0000 0.0000 63.5779 31.9247 175.8945 41 S 4.7818 8.0541 114.6489 58.9078 63.0043 176.4456 42 L 4.1016 8.0367 124.7819 56.5124 41.2938 180.7999 43 K 3.9051 8.9467 128.4227 54.9706 28.0000 172.5222 44 Q 4.6354 7.3773 120.2203 54.6957 35.2176 178.2140 45 Q 4.6340 8.5391 118.3296 59.2335 31.0567 180.8485 46 L 4.3212 7.8566 126.5246 59.8307 40.8083 181.4706 *47 F 4.4791 8.1148 123.2325 61.8268 38.2063 180.1832 48 S 4.3051 8.1160 119.1911 64.3726 62.2505 181.1336 *49 Y 4.4169 7.9500 122.9622 61.0295 36.6291 180.0841 50 A 4.3210 8.1114 122.8954 56.2618 18.5576 180.4105 51 I 3.8057 7.5545 121.0576 65.5057 35.3951 181.3619 52 L 4.6518 7.4524 119.7909 57.5709 39.6349 180.8992 53 G 4.2220 7.8894 106.4729 47.3498 0.0000 176.5679 *54 F 4.4235 8.2723 122.7747 61.3448 37.5230 182.0203 55 A 4.3610 8.0563 121.9123 55.6694 18.1445 180.0434 56 L 4.2188 8.0541 121.3363 59.0834 40.9997 181.6337 57 S 4.8655 7.6312 118.1271 63.0419 63.5463 181.7058 58 E 4.1898 8.0474 119.0465 59.4232 29.6445 181.1169 59 A 4.3498 7.8304 121.5451 56.5376 18.3830 179.5600 60 M 4.3801 7.5979 116.3385 58.0813 31.9785 180.4559 61 G 4.1734 7.9026 106.5282 47.4628 0.0000 176.5425 62 L 4.2230 7.8486 127.1622 59.7367 40.9263 183.8662 *63 F 4.6225 8.5720 121.6173 60.9660 38.1345 179.0671 64 C 4.8591 7.8895 119.2610 62.5959 29.3520 181.6423 65 L 4.4223 7.9760 124.8883 59.6798 40.6873 183.0954 66 M 4.4760 8.0821 120.7066 60.5281 31.2289 184.7282 67 V 3.9551 7.7664 118.0505 65.9472 31.7455 182.2659 68 A 4.3515 7.6802 121.9874 55.4848 18.0508 179.8868 *69 F 4.3289 8.2878 121.4753 61.8581 37.9598 182.4346 70 L 4.3798 7.7637 122.7648 59.8445 40.9418 182.6143 71 I 4.6166 7.5174 118.6030 60.1372 35.8591 179.0641 72 L 4.7955 7.8741 121.6541 55.6196 45.2489 178.9399 *73 F 4.3686 7.7844 118.7554 57.8782 39.1004 179.3600 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 7.98 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.91 0.00 0.00 3 D 8.24 4.38 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.15 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 A 7.87 4.39 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.90 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.00 4.37 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.06 7.81 *8 F 8.27 4.47 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.64 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.13 0.91 0.00 0.00 10 G 7.31 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.64 4.38 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.63 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.97 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.78 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.72 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 V 7.40 4.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 17 G 7.69 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.54 4.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 19 A 7.70 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.01 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.03 4.35 0.00 3.75 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.72 4.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.18 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.09 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.91 0.00 0.00 26 G 7.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.64 4.34 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 V 7.65 4.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 *29 F 7.75 4.85 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.10 4.46 0.00 3.75 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.54 4.56 0.00 1.63 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.32 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.91 0.00 0.00 34 I 7.48 4.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.65 0.91 0.00 0.00 35 G 7.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 Y 7.59 4.24 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.42 4.38 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.86 4.12 0.00 1.95 1.85 0.00 3.41 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 39 N 7.37 4.60 0.00 2.93 2.72 0.00 0.00 6.64 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.12 0.00 2.02 1.86 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 41 S 8.05 4.78 0.00 3.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.04 4.10 0.00 1.66 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.95 3.91 0.00 1.93 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.98 7.81 44 Q 7.38 4.64 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 45 Q 8.54 4.63 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 46 L 7.86 4.32 0.00 1.65 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *47 F 8.11 4.48 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.12 4.31 0.00 3.73 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 Y 7.95 4.42 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.11 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.55 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.91 0.00 0.00 52 L 7.45 4.65 0.00 1.83 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 F 8.27 4.42 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.06 4.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.05 4.22 0.00 1.76 1.59 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.63 4.87 0.00 3.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.05 4.19 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 59 A 7.83 4.35 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.60 4.38 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 61 G 7.90 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.85 4.22 0.00 1.70 1.68 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *63 F 8.57 4.62 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.89 4.86 0.00 2.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.98 4.42 0.00 1.69 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.08 4.48 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 67 V 7.77 3.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 68 A 7.68 4.35 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *69 F 8.29 4.33 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.76 4.38 0.00 1.78 1.61 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.52 4.62 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.14 0.91 0.00 0.00 72 L 7.87 4.80 0.00 1.60 1.52 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *73 F 7.78 4.37 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.